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Of course, one can expect that the quality of predicted (simulated) infrared spectra depends on the coverage of the structural domain by the training data. 2. 1. Kohonen Neural Networks Kohonen neural networks were initially developed with the aim to mimic human brain functioning, mainly the storage of information and memory. In human brains, similar information is stored in certain regions (neighboring neurons) of the cortex. This is related to the mapping of inputs in the Kohonen map. The unsupervised nature of learning strategy of the Kohonen neural networks is rationalized by the way young children learn to recognize objects.
Of course, one can expect that the quality of predicted (simulated) infrared spectra depends on the coverage of the structural domain by the training data. 2. 1. Kohonen Neural Networks Kohonen neural networks were initially developed with the aim to mimic human brain functioning, mainly the storage of information and memory. In human brains, similar information is stored in certain regions (neighboring neurons) of the cortex. This is related to the mapping of inputs in the Kohonen map. The unsupervised nature of learning strategy of the Kohonen neural networks is rationalized by the way young children learn to recognize objects.
Polley MJ, Burden FR, Winkler, DA. (2005) Predictive human intestinal absorption QSAR models using Bayesian regularized neural networks. Aust J Chem 58:859–863. 12. Burden F R (1996) Using artificial neural networks to predict biological activity from simple molecular structure considerations. Quant Struct-Act Relat 15:7–11. 13. Burden FR (1989) Molecular identification number for substructure searches. J Chem Inf Comput Sci 29:225–227. 14. Winkler DA, Burden FR (2004) Bayesian neural nets for modeling in drug discovery.
Small Wonder Labs 40-Meter Superhet Transceiver Kit
by Richard
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